chempirical

p-Trifluoromethylpropiophenone

C10H9F3OCAS 711-33-1202.18 g/mol

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OFFF
Alkyl halideKetone

Properties

Molecular formula
C10H9F3O
Molar mass
202.18 g/mol
Exact mass
202.0605 Da
logP
3.30Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
711-33-1
SMILES
CCC(=O)C1=CC=C(C=C1)C(F)(F)F
InChIKey
QFKOWENRSZZLPK-UHFFFAOYSA-N
InChI
InChI=1S/C10H9F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6H,2H2,1H3

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Names and synonyms

1 names
  • 4'-(Trifluoromethyl)propiophenone

Work with p-Trifluoromethylpropiophenone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-[3,5-Bis(trifluoromethyl)phenyl]-1-propanone85068-34-469 % similar 1-[4-(1,1-Dimethylethyl)phenyl]-1-propanone71209-71-766 % similar 2-Bromo-1-[4-(trifluoromethyl)phenyl]ethanone383-53-964 % similar 1-[3-Fluoro-5-(trifluoromethyl)phenyl]-1-propanone207974-20-759 % similar 1-(4-Fluorophenyl)-1-propanone456-03-159 % similar Ethyl 3-oxo-3-(4-(trifluoromethyl)phenyl)propanoate106263-53-059 % similar 2-Fluoro-5-(trifluoromethyl)propiophenone207974-18-358 % similar 2'-Fluoro-4'-(trifluoromethyl)propiophenone208173-16-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3'-(Trifluoromethyl)propiophenone1533-03-5 2-(Trifluoromethyl)propiophenone16185-96-9 3-(Trifluoromethyl)benzenepropanal21172-41-8 1-[3-(Trifluoromethyl)phenyl]-2-propanone21906-39-8

Elsewhere

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